ChemSpider 2D Image | 2-[3-(Butyryloxy)-4-methoxyphenyl]-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl butyrate | C27H30O10

2-[3-(Butyryloxy)-4-methoxyphenyl]-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl butyrate

  • Molecular FormulaC27H30O10
  • Average mass514.521 Da
  • Monoisotopic mass514.183899 Da
  • ChemSpider ID9061023

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[3-(Butyryloxy)-4-methoxyphenyl]-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl butyrate [ACD/IUPAC Name]
2-[3-(Butyryloxy)-4-methoxyphenyl]-3,6,7-trimethoxy-4-oxo-4H-chromen-5-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, 2-methoxy-5-[3,6,7-trimethoxy-4-oxo-5-(1-oxobutoxy)-4H-1-benzopyran-2-yl]phenyl ester [ACD/Index Name]
Butyrate de 2-[3-(butyryloxy)-4-méthoxyphényl]-3,6,7-triméthoxy-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
2-[3-(butanoyloxy)-4-methoxyphenyl]-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl butanoate
5,3'-Dibutanoyloxy-3,6,7,4'-tetramethoxyflavone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514284/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 637.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 269.9±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 260.93
ACD/KOC (pH 5.5): 1867.92
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.93
ACD/KOC (pH 7.4): 1867.92
Polar Surface Area: 116 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 398.5±5.0 cm3

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